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1 Retrospective The Cross Pharma HPC Forum (almost) four years on… Rob Stansfield October 13, 2011.

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Presentation on theme: "1 Retrospective The Cross Pharma HPC Forum (almost) four years on… Rob Stansfield October 13, 2011."— Presentation transcript:

1 1 Retrospective The Cross Pharma HPC Forum (almost) four years on… Rob Stansfield October 13, 2011

2 RETROSPECTIVE – The Cross Pharma HPC Forum | 2 Quantitative & Qualitative ● (almost) 4 years ● Since December 12, 2007 ● 6 companies + Intel at the start ● BMS, GSK, J&J, Merck, Pfizer, Wyeth + Intel ● 16 face to face meetings ● Quarterly ● Up to ~16 companies represented ● Abbott Labs, Astra Zeneca, Biogen Idec, BMS, Boehringer- Ingelheim, Congenomics, Eli Lilly, GSK, J&J, Merck, Novartis, Pfizer, Roche, Sanofi-aventis, Schering-Plough, Wyeth + Intel ● Up to ~30 attendees at a meeting ● Dave Torgersen (Pfizer) ● 2008 ● Gene Fluder (Merck) ● 2009 ● John Morris (Wyeth >> Pfizer) ● 2010 ● Zheng Yang (GSK  BI) ● 2011 ● Rob Stansfield (Sanofi) ● 2012

3 RETROSPECTIVE – The Cross Pharma HPC Forum | 3 SPECTRE SPEcific Computing for Tomorrow’s Research Environment ● Zheng Yang (Dr. No) Dr. No(Dr. No) ● Gene Fluder (Blofeld) Diamonds Are Forever(Blofeld) ● Jeff Mathers (Goldfinger) Goldfinger(Goldfinger) ● Tim Wagner (Scaramanga) Man With the Golden Gun(Scaramanga) ● John Morris (Le Chiffre) Casino Royale(Le Chiffre) ● Dave Torgersen(Max Zorin) A View To A Kill(Max Zorin) ● Mike Shevlin (Nick Nack) Man With the Golden Gun(Nick Nack)

4 RETROSPECTIVE – The Cross Pharma HPC Forum | 4 F2F Meetings Attendance Oct ’09 : Merck  Schering Plough Nov ’09 : Pfizer  Wyeth Propose 1.5 days meeting

5 RETROSPECTIVE – The Cross Pharma HPC Forum | 5 Themes ● Early proposals ● Standardization ● Software license models ● API standards ● Non-proprietary code exchanges ● Member companies ● Presentations ● HPC Overview ● Early 2008 ● Forum charter and mission, Voting rights, Visibility, Publish an article? ● Governance, Role of Central IT ● Growth of Linux, Grid computing (Univa/UD), Computing on demand ● Storage, Collaborative (Open Source) software development ● Vendor management, License management  ROI analyses ● Late 2008 ● Clear and attainable goals for Forum ● Invite ISV’s vs. do not invite ISV’s ● New technologies, Cloud Computing ● Doing science better  Doing better science

6 RETROSPECTIVE – The Cross Pharma HPC Forum | 6 Themes (continued) ● Early 2009 ● Best practices, Conference reports ● NONMEM rewrite?, GPU ● Storage / Specialized storage ● Late 2009 ● Introspection – User Group? Special Interest? Task Force? ● Emerging technologies (and ICAP companies), HPC benchmarking ● File systems (e.g. pNFS vs. PVFS) ● Emerging Science (enabled by HPC) ● Sub groups / Tech committee on advanced topics, working via teleconference ● GUI for Molecular Dynamics, CCG (MOE) ● Early 2010 ● Big data (Broad Institute) ● HPC at Intel ● Cray Computer ● Workflow tools (Pipeline Pilot, Knime, et al) ● Late 2010 ● Next-gen sequencing ● NVIDIA (GPU, CUDA, NONMEM)

7 RETROSPECTIVE – The Cross Pharma HPC Forum | 7 Six Illustrative Themes CLOUD COMPUTING SOFTWARE LICENSING MISSION / CHARTER BEST PRACTICES MARKETING VENDOR MANAGEMENT

8 RETROSPECTIVE – The Cross Pharma HPC Forum | 8 Mission / Charter Group goals and purpose redux MISSION / CHARTER Action to draft charter Final version agreed Ref: Pistoia Alliance presentation To (accelerate) improve pharmaceutical research and scientific outcomes by collaborating to optimize HPC capabilities, promote standards, and develop best practices “Get my stuff done and make sure my manager can get to it and if there are mistakes re-run the job and also make sure it integrates with the tools I am using today” Jeff Mathers, J&J, Meeting #1, 30-Jan-08 “To improve the level of support and responsiveness to the scientific community” Executive Summary, Meeting #0

9 RETROSPECTIVE – The Cross Pharma HPC Forum | 9 Charter The mission of the Cross-Pharma HPC Forum is to improve the outcomes of scientific research, in time, quality, and cost, by maximizing the value of HPC in pharmaceutical R&D through collaboration to optimize capabilities, to promote standards, and to develop best practices The major goals of the Cross-Pharma HPC Forum are to: ● Establish and maintain a network among the member companies that fosters open communication of non-commercially sensitive information; ● Educate members regarding best practices in the exploitation and management of HPC in the pharmaceutical and other industries; ● Promote the development and use of open standards for specialized scientific applications in pharmaceutical R&D; ● Identify challenges, scientific and otherwise, where the collective influence and pooled efforts of the members can be leveraged for mutual benefit; ● Create opportunities for open and informal dialogue between the members and suppliers of HPC products and services; ● Alert members to new and emerging information technologies and products of special relevance to HPC in pharmaceutical R&D and to coordinate efforts accordingly. Mission Goals

10 RETROSPECTIVE – The Cross Pharma HPC Forum | 10 Vendor Management / OS Framework VENDOR MANAGEMENT Proposal for Open Source initiative to develop a frame- work to optimize (counter / enhance) vendor solutions Working Group - focus on Chemistry Ref: Peter Krey JPMorganChase Top 10 vendors Top 5 vendors -Schrodinger -Accelrys -Mathworks -Ariadne -Ingenuity Ref: BioConductor “R” presentation Ref: Open Source SB-Grid presentation Intel ISV engagement model Group agrees to not to pursue further Advice from Wall Street “Step on the air hose – when they can’t breathe, then they’ll listen” Peter Krey, JPMorganChase, Meeting #3 Reference: Collaborative Software Initiative (CSI) for OS development Reference: ACORD strategy (standards-setting for insurance industry)

11 RETROSPECTIVE – The Cross Pharma HPC Forum | 11 Software Licensing Several companies experiencing challenges in negotiating licenses Outline for a licensing position paper Top 10 vendors Top 5 vendors -Schrodinger -Accelrys -Mathworks -Ariadne -Ingenuity HPC SW Licensing Scorecard SOFTWARE LICENSING Intel ISV engagement model Discussion ends naturally Revisited Pfizer’s “S” curve Working Group

12 RETROSPECTIVE – The Cross Pharma HPC Forum | 12 Vendor Management & Software Licensing ● Valuable documents ● Licensing position paper from 2008 ● HPC SW Licensing scorecard from 2008 ● Valuable reference models ● “S” curve – as a model of desirable software licensing ● ACORD – as a model of standards setting ● BioConductor, Open-SB, CSI – as models of collaborative and Open Source software development ● Wall street – as a model for vendor management ● Vendor identification ● And identification of alternatives ● Intel as facilitator

13 RETROSPECTIVE – The Cross Pharma HPC Forum | 13 Cloud Computing CLOUD COMPUTING Lilly Cloud 1.0 live demo using AWS for IaaS EMC on Cloud storage Moderated discussion  5 “pilots” Everyone is in this game !! (see next slide) BioIT World Lilly update Pfizer update GSK (UK) on the economics of Cloud Computing Chris Dag (BioTeam) Co-meeting with Sanofi-aventis & Sanofi Pasteur

14 RETROSPECTIVE – The Cross Pharma HPC Forum | 14 Meeting #14, 2Q (Jun 22-23), 2011 ● Every Pharma company represented is either already using AWS or starting evaluations and pilots ● Pfizer use AWS for production scientific HPC with a "DIY" approach to building and automating the service ● Merck will copy Pfizer ● Eli Lilly have worked with Cycle Computing as an intermediary to AWS for three years ● JnJ already use AWS for some other purposes (e.g. TranSMART), and are starting an evaluation with Cycle Computing ● Boehringer Ingelheim and Roche expressed their intent to start evaluating public cloud this year ● Novartis (NIBR) have been working with CloudSwitch for secure hybrid cloud since one year Conclusion - good for external application hosting, not good for HPC ● and have evaluated several sources for external scientific HPC, including Dell and Cycle Computing

15 RETROSPECTIVE – The Cross Pharma HPC Forum | 15 Best Practices BEST PRACTICES Proposal from Tabor Research Survey definition 7 companies commit Report on PRIME meeting of Apr 30 Tabor  InterSect 360Final report

16 RETROSPECTIVE – The Cross Pharma HPC Forum | 16 Best Practices ● Final report ● Seven participating (paying) companies ● Very diverse approaches in each organization Different users distributions Different organizations Different architectures ● Expected ● Common issues, challenges, to which organizations adapt ● Unexpected ● No single Best Practice identified ● A successful collaboration on a jointly financed exercise ● Motivated by self-interest in anonymized benchmarking

17 RETROSPECTIVE – The Cross Pharma HPC Forum | 17 Marketing Plan for ACS Fall presentations Yahoo  Website MARKETING Four public presentations at the ACS Fall annual meeting

18 RETROSPECTIVE – The Cross Pharma HPC Forum | 18 Personal (Sanofi) Highlights ● Pat Gelsinger (Intel) ● April 2008, e.g. future of Infiniband vs. 10Gb Ethernet ● Between meetings (2Q 2008) ● Clustered storage discussion facilitated by G.Pocina (Pfizer) ● Experiences of Michael Parker and John Dey at Merck (Rosetta) with multiple storage solutions, as well as Pfizer ● Pointed us to Isilon systems Evaluation  Benchmarking  Purchase ● Peter Krey (JPMorganChase) ● July 2008, Tough approach to vendor management ● Dave Powers, Andrew Kaczorak (Eli Lilly) ● Sep 2008, Cloud Computing live demo

19 19 Thank You!

20 20 Quarterly Meetings Date Location Attendees Companies Agenda & Presentations

21 RETROSPECTIVE – The Cross Pharma HPC Forum | 21 Meeting #0 ● The Kickoff ! ● December 12, 2007 ● Mediterra Restaurant, Princeton, NJ ● “Pharma IT Forum” ● Attendees (~10) ● Companies (7) ● BMS, GSK, Intel, J&J, Merck, Pfizer, Wyeth ● Agenda & Presentations ● Discussion around forming the group Organizational situation Principles for the “forum” Ongoing challenges ● Branding SPECTRE = SPEcific Computing for Tomorrow’s Research Environment ● HPC in Pfizer Dave Torgersen ● Linux and HPC John Morris, Wyeth Research

22 RETROSPECTIVE – The Cross Pharma HPC Forum | 22 Meeting #1 ● 1Q 2008 ● January 30, 2008 ● J&J R&D, Raritan, NJ ● “Pharma IT Forum” Mission Statement (WIP) ● “To (accelerate) improve pharmaceutical research and scientific outcomes by collaborating to optimize HPC capabilities, promote standards, and develop best practices.” ● Attendees (~11) ● Companies (7) ● BMS, GSK, Intel, J&J, Merck, Pfizer, +Wyeth ● Agenda & Presentations ● Pfizer company presentation Dave Torgersen ● Merck company presentation Gene Fluder ● J&J company presentation Jeff Mathers ● Wyeth Research presentation John Morris ● GSK company presentation Zheng Yang ● BMS company presentation Tim Wagner

23 RETROSPECTIVE – The Cross Pharma HPC Forum | 23 Meeting #2 ● 2Q 2008 ● April 29, 2008 ● Intel, Cambridge, MA ● “Cross Pharma HPC Consortium” ● Attendees (~20) ● Companies (10) ● +Astra Zeneca, BMS, GSK, Intel, J&J, Merck, Novartis, Pfizer, +Sanofi- aventis, Wyeth ● Preceding evening ● Dinner with Pat Gelsinger, SVP and General Manager of Intel’s Digital Enterprise Group ● Agenda & Presentations ● Sanofi-aventis presentation Rob Stansfield ● Novartis company presentation Jason Calvert ● Vendor Management & Licensing Mike Miller, Pfizer ● Licensing discussion ● Application Deployment best practices in Scientific Computing Tim Wagner, BMS Intel CTO

24 RETROSPECTIVE – The Cross Pharma HPC Forum | 24 Meeting #3 ● 3Q 2008 ● July 15, 2008 ● GSK, Collegeville, PA ● “Cross Pharma HPC Forum” ● Attendees (~20) ● Companies (9) ● BMS, GSK, Intel, J&J, Merck, Novartis, Pfizer, Sanofi-aventis, Wyeth ● Preceding evening ● Hosted dinner courtesy IBM Steven Simon, Director of IBM’s System and Technology Group Industry Solution Centers Peter Krey, Wall Street Executive ● Agenda & Presentations ● Licensing Working Group Draft position paper ● Discussion over working lunch ● Presentation on Wall Street experience with vendor management Peter Krey, Krey Associates, Head of Research & Engineering, IB Architecture, JPMorganChase ● Open Source Working Group Status and next steps

25 RETROSPECTIVE – The Cross Pharma HPC Forum | 25 Meeting #4 ● 4Q 2008 ● September 23, 2008 ● Merck, Rahway, NJ ● Attendees (~27) ● Companies (11) ● BMS, +Eli Lilly, GSK, Intel, J&J, Merck, Novartis, Pfizer, Sanofi- aventis, +Schering-Plough, Wyeth ● Preceding evening ● Dinner courtesy of IBM ● Michael Hehenberger, IBM Global Life Science R&D Solutions ● Agenda & Presentations ● Schering Plough presentation Corey Strickland ● Eli Lilly company presentation Andrew Kaczorek ● Licensing Position Paper Goran Pocina (Pfizer) ● Forum goals and purpose redux John Morris (Wyeth) ● Vendor Management Top ten ranked in order Top five ranked by votes  SW Licensing Scorecard ● Cloud Computing Dave Powers (Eli Lilly) ● Open Source project Mike Miller (Pfizer)

26 RETROSPECTIVE – The Cross Pharma HPC Forum | 26 Meeting #5 ● 1Q 2009 ● January 14, 2009 ● Novartis (NIBR), Cambridge, MA ● Attendees (~33) ● Companies (15) ● +Abbott Labs, BMS, +Boehringer- Ingelheim, +Congenomics, +Harvard Med School, Eli Lilly, GSK, Intel, J&J, Merck, Novartis, Pfizer, Sanofi- aventis, Schering-Plough, Wyeth ● Preceding Evening ● Dinner courtesy of EMC ● Agenda & Presentations ● BI company presentation Miguel Teodoro ● (cont.) ● Abbott Labs presentation Scott Brown, Steve Muchmore ● BioConductor project Vincent Cary, Harvard Medical School ● Open Source SB-Grid Piotr Sliz, Harvard Medical School ● SuperComputing 08 recap J.Morris (Wyeth), A.Kaczorak (Lilly), G.Stiegler (BMS), G.Pocina (Pfizer) ● Best Practices proposal w Tabor John Morris (Wyeth) ● Pistoia Alliance Debbie Igo (Novartis) ● ISV Engagement Model Henry Gabb (Intel)

27 RETROSPECTIVE – The Cross Pharma HPC Forum | 27 Meeting #6 ● 2Q 2009 ● May 5-6, 2009 ● Sanofi-aventis, Bridgewater, NJ ● Attendees (~20) ● Companies (11) ● BMS, BI, Congenomics, GSK, Intel, J&J, Merck, Pfizer, Sanofi-aventis, Schering-Plough, Wyeth ● Day 1 : Agenda & Presentations ● Best Practices survey John Morris (Wyeth) Invite 13 companies ● Review of PRIME meeting on April 30 in Groton (Pfizer) ● Vendor interaction Mike Miller (Pfizer) ● Dinner ● Day 2 : Agenda & Presentations ● Formal charter discussion Gene Fluder (Merck) ● HPC Storage John Morris (Wyeth), Rich Bach (Merck) ● Future Topics Gene Fluder (Merck) ● Cloud Computing M.Teodoro (BI), S.Piotrowski (J&J)  Five companies pursuing

28 RETROSPECTIVE – The Cross Pharma HPC Forum | 28 Meeting #7 ● 3Q 2009 ● August 10-11, 2009 ● BMS, Pennington, NJ ● Attendees (~21) ● Companies (14) ● Abbott Labs, BMS, BI, Congenomics, Eli Lilly, GSK, Intel, J&J, Merck, Novartis, Pfizer, Sanofi-aventis, Schering-Plough, Wyeth ● Day 1 : Agenda & Presentations ● Intel Capital’s Investment portfolio, emerging technologies Six company presentations ● Dinner ● Hosted by Intel ● Day 2 : Agenda & Presentations ● Vendor interaction update Mike Miller (Pfizer) ● Best Practices survey update John Morris (Wyeth) ● HPC enablement for Molecular Dynamics Zheng Yang (GSK) ● Forum objective and strategy Gene Fluder (Merck) ● pNFS vs. PVFS Rich Bach (Merck)

29 RETROSPECTIVE – The Cross Pharma HPC Forum | 29 Meeting #8 ● 4Q 2009 (RS not present) ● October 22-23, 2009 ● Pfizer, Groton, CT ● Attendees (~?) ● Companies (?) ● Day 1 : Agenda & Presentations ● Review/Acceptance of Mission Statement John Morris (Wyeth) ● GUI discussion Miguel Teodoro (BI) ● Best Practices survey update Addison Snell (Tabor), John Morris (Wyeth) ● Dinner ● Hosted by Isilon ● Day 2 : Agenda & Presentations ● Marketing and publicity Gene Fluder (Merck), Zheng Yang (GSK) ● Current efforts / update Gene Fluder (Merck) ● Current efforts / update Mike Miller (Pfizer) ● Technology roundtable Greg Stiegler (BMS), Corey Strickland (S-P) ● Industry Trends Chris Dwan (BioTeam)

30 30 Mergers & Acquisitions Oct 2009 : Pfizer  Wyeth Nov 2009 : Merck  Schering-Plough

31 RETROSPECTIVE – The Cross Pharma HPC Forum | 31 Meeting #9 ● 1Q 2010 ● March 1-2, 2010 ● B-I, Ridgefield, CT ● Attendees (~19) ● Companies (10) ● BMS, BI, Congenomics, Eli Lilly, GSK, Intel, J&J, Merck, Pfizer, Sanofi-aventis, [Wyeth] ● Day 1 : Agenda & Presentations ● MOE / NAMD GUI dev. Update Paul Labute (CCG Inc.) ● Broad Institute infrastructure Matt Trunnell ● HPC at Intel Shesha Krishnapura (a talk delivered at SC ’09) ● Dinner ● Hosted by Intel ● Day 2 : Agenda & Presentations ● HPC Grid at GSK Jeremy Martin ● Workflow tools update Steve Litster ● HPC at Sanofi-aventis Rob Stansfield ● Marketing/Publicity & ACS Z.Yang (GSK), G.Fluder (Merck), R.Bruccoleri Congenomics), M.Miller (Pfizer  Fall ACS National Meeting ● Cloud Computing G.Stiegler (BMS), D.Powers (Lilly), M.Miller (Pfizer) ● Best Practices Report Addison Snell (InterSect 360)

32 RETROSPECTIVE – The Cross Pharma HPC Forum | 32 Meeting #10 ● 2Q 2010 ● May 13-14, 2010 ● Merck (ex S-P), Kenilworth, NJ ● Attendees (~24) ● Companies (10) ● BMS, BI, Congenomics, GSK, Intel, J&J, Merck, Novartis, Pfizer, Sanofi- aventis ● Day 1 : Agenda & Presentations ● 2010 BioIT World Summary R.Stansfield (Sanofi-aventis), G.Stiegler (BMS), J.Morris (Pfizer) ● ACS Conference preparations Z.Yang (GSK) ● Cross Pharma HPC website R.Bruccoleri (Congenomics) ● Cray Computer Barry Bolding ● Dinner ● Hosted by Cray Computer ● Day 2 : Agenda & Presentations ● Workflow tools Steve Litster (Novartis) ● Funding of projects Gene Fluder ● HPC at Merck Gene Fluder ● Cloud Technologies Chris Dagdigian (BioTeam) ● Advanced Linux topics Greg Stiegler (BMS)

33 RETROSPECTIVE – The Cross Pharma HPC Forum | 33 Meeting #11 ● 3Q 2010 (plus ACS) ● ½ day, August 24, 2010 ● Novartis (NIBR), Cambridge, MA ● Attendees (~?) ● Companies (?) ● BMS, BI, Congenomics, GSK, Intel, J&J, Merck, Novartis, Pfizer, Sanofi- aventis ● ACS Fall Annual Meeting ● August 25, 2010 ● Boston, MA ● ACS Agenda ● Intro to X-Pharma HPC Forum John Morris (Pfizer) ● Applications & Use of Cloud… Mike Miller (Pfizer) (cont.) ● Current Trends of HPC in Pharma Steve Litster (Novartis) ● Challenges & Collaboration... Rob Stansfield (Sanofi-aventis) ● Dinner ● Hosted by VMWare ● Agenda & Presentations ● Website update R.Bruccoleri (Congenomics) ● GSK HPC update ● Workflow (Knime) update Steve Litster (NIBR) ● Advanced Linux topics G.Stiegler (BMS) ● VMWare presentation

34 RETROSPECTIVE – The Cross Pharma HPC Forum | 34 Meeting #12 ● 4Q 2010 (RS not present) ● November 11-12, 2010 ● J&J, Spring House, PA ● Attendees (~16) ● Companies (8) ● BMS, BI, Congenomics, GSK, Intel, J&J, Merck, Pfizer ● Day 1 : Agenda & Presentations ● Advanced Linux Topics Greg Stiegler (BMS) ● Protein Database System Corey Strickland (Merck) Proasis, Marti Head (GSK) PSILO ● Brainstorm on collaboration topics G.Fluder (Merck), Z.Yang (BI)  NONMEM optimization ● Dinner Hosted by SGI? ● Day 2 : Agenda & Presentations ● Website update & LinkedIn R.Bruccoleri, Z.Yang (BI) ● Intel many-core strategy Mike Shevlin ● Cray feedback Gene Fluder (Merck) ● HPC at J&J and Cloud Computing Zhen Min, Sebastian Piotrowski ● New topics

35 RETROSPECTIVE – The Cross Pharma HPC Forum | 35 Meeting #13 ● 1Q 2011 ● March 3-4, 2011 ● Sanofi-aventis, Bridgewater, NJ ● Attendees (~) ● Companies () ● Day 1 : Agenda & Presentations ● Co-meeting with Sanofi-aventis and Sanofi Pasteur ● NVIDIA presentation Kimberly Powell et al ● Dinner ● Hosted by NVIDIA ● Day 2 : Agenda & Presentations ● Eli Lilly company presentation Jon Klinginsmith ● Workflow update Steve Litster (Novartis) ● Intel-Oracle presentation ● Discussion over ECLC

36 RETROSPECTIVE – The Cross Pharma HPC Forum | 36 Meeting #14 ● 2Q 2011 ● June ● BMS, Lawrenceville, NJ ● Attendees (~) ● Companies () ● Day 1 : Agenda & Presentations ● Large scale data movement Mike Miller (Pfizer) ● License practice discussion Stewart Samuel ● Next generation sequencing Bob Bruccoleri (Congenomics) ● IBM presentation ● Dinner ● Hosted by IBM ● Day 2 : Agenda & Presentations ● Network connection discussion Steve Litster ● Roche company presentation Michael Braxenthaler ● Membership discussion ● HP tech briefing ● Follow-up discussion of GPGPU with NVIDIA Gene Fluder (Merck) ● Preparation for Q3 meeting


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